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485-13-2

485-13-2 structural image
Product Name: fluoroacetyl-coenzyme A
Formula: C23H37FN7O17P3S
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COMPUTED DESCRIPTORS

Molecular Weight 827.6 g/mol
XLogP3 -5.2
Hydrogen Bond Donor Count 9
Hydrogen Bond Acceptor Count 23
Rotatable Bond Count 21
Exact Mass 827.11635307 g/mol
Monoisotopic Mass 827.11635307 g/mol
Topological Polar Surface Area 389 Ų
Heavy Atom Count 52
Formal Charge 0
Complexity 1400
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Fluoroacetyl-CoA is an acyl-CoA that results from the formal condensation of the thiol group of Co-A with the carboxylic acid group of fluoroacetic acid. It is functionally related to a fluoroacetic acid. It is a conjugate acid of a fluoroacetyl-CoA(4-).